Information card for entry 1519163

Structure parameters

• Formula: C48 H51 Co N3 P3 S3
• Calculated formula: C48 H51 Co N3 P3 S3
• SMILES: [Co]123(SC(=N\CCC)/[P]1(c1ccccc1)c1ccccc1)(SC(=N\CCC)/[P]2(c1ccccc1)c1ccccc1)SC(P(c1ccccc1)c1ccccc1)=[N]3CCC
• Title of publication: C48H51CoN3P3S3
• Authors of publication: Dilworth, Jon R.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1996
• Pages of publication: 1204
• a: 16.858 ± 0.017 Å
• b: 15.233 ± 0.004 Å
• c: 17.784 ± 0.009 Å
• α: 90°
• β: 99.6 ± 0.03°
• γ: 90°
• Cell volume: 4503 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2091
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.482
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No